SCHEMBL26093064

SCHEMBL26093064

COc1ccc(C(C)=CCCBr)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.49
GSK3B P49841 1/20 0.49
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NR1I2 O75469 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6319212 0.84 NQO2 (0.50) NQO2GSK3BPTGS1PTGS2NR1I2
SCHEMBL10361923 0.84 KDM4E (0.52) GSK3BNR1I2CES2CES1MAPT
SCHEMBL6319210 0.84 NQO2 (0.50) NQO2GSK3BPTGS1PTGS2NR1I2
SCHEMBL6319206 0.84 NQO2 (0.50) NQO2GSK3BPTGS1PTGS2NR1I2
SCHEMBL14604996 0.79 NR1I2 (0.53) NQO2GSK3BPTGS1PTGS2NR1I2
SCHEMBL10991192 0.77 TBXAS1 (0.40) GSK3BCES2CES1
SCHEMBL10991197 0.77 TBXAS1 (0.40) GSK3BCES2CES1
SCHEMBL29047156 0.77 GPR52 (0.59) CES2CES1MAPTALDH1A1RAB9A
SCHEMBL24738797 0.76 NQO2 (0.43) NQO2PTGS1PTGS2NR1I2CES2
SCHEMBL989932 0.75 NQO2 (0.56) NQO2GSK3BPTGS1PTGS2NR1I2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417359-A1 PRECURSORS OF PHENOLIC FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2024-12-19 US disclosed
EP-4419498-A1 PRECURSORS OF PHENOLIC FRAGRANT COMPOUNDS Givaudan SA (CH) 2024-08-28 EP disclosed
CN-118119589-A Phenol aromatic compound precursor 奇华顿股份有限公司 2024-05-31 CN disclosed
WO-2023067040-A1 PRECURSORS OF PHENOLIC FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2023-04-27 WO disclosed
WO-2023065203-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2023-04-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240417359-A1 PRECURSORS OF PHENOLIC FRAGRANT COMPOUNDS HAAO, FOS, HPD NQO2 662/4885GSK3B 3667/4885PTGS1 274/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.